SCHEMBL258593

SCHEMBL258593

CCC(=O)Oc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KCNMA1 Q12791 2/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
RECQL P46063 1/20 0.39
CXCR2 P25025 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29199525 0.86 KMT2A (0.43) GPR35ALDH1A1TDP1RECQLKMT2A
SCHEMBL7388321 0.84 ACHE (0.42) GPR35ALDH1A1HTTTDP1ACHE
SCHEMBL289563 0.82 CA1 (0.47) ALDH1A1HTTACHERECQLKMT2A
SCHEMBL6063920 0.81 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1RAB9ANPC1
SCHEMBL7509717 0.81 ALDH1A1 (0.45) ALDH1A1HTTTDP1L3MBTL1RAB9A
SCHEMBL16861184 0.80 GPR35 (0.51) GPR35ALDH1A1HTTTDP1L3MBTL1
SCHEMBL28820760 0.79 PKM (0.47) ALDH1A1HTTRECQLKMT2AMAPT
SCHEMBL7282922 0.79 GPR35 (0.53) GPR35ALDH1A1HTTTDP1L3MBTL1
SCHEMBL11241296 0.77 RAB9A (0.49) GPR35ALDH1A1HTTL3MBTL1RAB9A
SCHEMBL688711 0.77 GPR35 (0.56) GPR35ALDH1A1TDP1KCNMA1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831681-A A kind of preparation method of 5 nitro pyran derivate 湖南华腾制药有限公司 2017-06-13 CN claimed
EP-0323162-B1 NEW USE OF CATECHOL-O-METHYL TRANSFERASE (COMT) INHIBITORS AND THEIR PHYSIOLOGICALLY ACCEPTABLE SALTS AND ESTERS ORION YHTYMAE OY (FI) 1993-09-15 EP claimed
CN-112384511-B Endoparasite depsipeptides 硕腾服务有限责任公司 2024-01-30 CN disclosed
CN-116322683-A Compounds as C5AR inhibitors 科越医药(苏州)有限公司 2023-06-23 CN disclosed
CN-112384511-A Endoparasitic depsipeptides 硕腾服务有限责任公司 2021-02-19 CN disclosed
US-8058471-B2 Method for producing optically active hydroxycarboxylic acid derivatives or salts thereof KANEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF KANEKA CORPORATION (JP) 2010-07-29 US disclosed
EP-2053032-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Kaneka Corporation (JP) 2009-04-29 EP disclosed
EP-1753716-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE Dr. Reddy's Laboratories Ltd. (IN) 2007-02-21 EP disclosed
WO-2006001795-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE DR. REDDY'S LABORATORIES LIMITED (IN) 2006-01-05 WO disclosed
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative DR. REDDY'S LABORATORIES LIMITED 2005-12-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF DHPS, HAAO, HCAR2 GPR35 2026/4885ALDH1A1 137/4885HTT 184/4885
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative SRM, PKD1, CA2 GPR35 2390/4885ALDH1A1 1421/4885HTT 2462/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.